2-(2,6-dimethylpurin-9-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide

C24H23N9O2 — CID 90683647

IUPAC2-(2,6-dimethylpurin-9-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide
SMILESCc1nc(C)c2ncn(CC(=O)Nc3cncc(C(=O)c4cn(C(C)C)c5ncncc45)c3)c2n1
InChIInChI=1S/C24H23N9O2/c1-13(2)33-9-19(18-8-26-11-27-23(18)33)22(35)16-5-17(7-25-6-16)31-20(34)10-32-12-28-21-14(3)29-15(4)30-24(21)32/h5-9,11-13H,10H2,1-4H3,(H,31,34)
InChIKeyHAYNZBDIGITRPX-UHFFFAOYSA-N
MW469.51 g/mol
LogP3.03
Rot. Bonds6

About 2-(2,6-dimethylpurin-9-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide

2-(2,6-dimethylpurin-9-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide (PubChem CID 90683647) has the molecular formula C24H23N9O2 and a molecular weight of 469.51 g/mol. Its IUPAC name is 2-(2,6-dimethylpurin-9-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-(2,6-dimethylpurin-9-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide
PubChem CID90683647
Molecular FormulaC24H23N9O2
Molecular Weight469.51 g/mol
Exact Mass469.20
IUPAC Name2-(2,6-dimethylpurin-9-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide
SMILESCc1nc(C)c2ncn(CC(=O)Nc3cncc(C(=O)c4cn(C(C)C)c5ncncc45)c3)c2n1
InChIInChI=1S/C24H23N9O2/c1-13(2)33-9-19(18-8-26-11-27-23(18)33)22(35)16-5-17(7-25-6-16)31-20(34)10-32-12-28-21-14(3)29-15(4)30-24(21)32/h5-9,11-13H,10H2,1-4H3,(H,31,34)
InChIKeyHAYNZBDIGITRPX-UHFFFAOYSA-N
XLogP3.03
TPSA133.37 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.51
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylpurin-9-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide?
The IUPAC name of 2-(2,6-dimethylpurin-9-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide (CID 90683647) is 2-(2,6-dimethylpurin-9-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide.
What is the SMILES notation for 2-(2,6-dimethylpurin-9-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide?
The canonical SMILES for 2-(2,6-dimethylpurin-9-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide is Cc1nc(C)c2ncn(CC(=O)Nc3cncc(C(=O)c4cn(C(C)C)c5ncncc45)c3)c2n1.
What is the InChIKey of 2-(2,6-dimethylpurin-9-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide?
The InChIKey is HAYNZBDIGITRPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N9O2/c1-13(2)33-9-19(18-8-26-11-27-23(18)33)22(35)16-5-17(7-25-6-16)31-20(34)10-32-12-28-21-14(3)29-15(4)30-24(21)32/h5-9,11-13H,10H2,1-4H3,(H,31,34).
What are the key properties of 2-(2,6-dimethylpurin-9-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide?
2-(2,6-dimethylpurin-9-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide has a molecular weight of 469.51 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylpurin-9-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide is sourced from PubChem (CID 90683647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).